5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine

C10H13BrN2S2 — CID 115689549

IUPAC5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCC2CSCCS2)nc1
InChIInChI=1S/C10H13BrN2S2/c11-8-1-2-10(12-5-8)13-6-9-7-14-3-4-15-9/h1-2,5,9H,3-4,6-7H2,(H,12,13)
InChIKeyMMIDDDOVCSAIHK-UHFFFAOYSA-N
MW305.27 g/mol
LogP3.10
Rot. Bonds3

About 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine

5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine (PubChem CID 115689549) has the molecular formula C10H13BrN2S2 and a molecular weight of 305.27 g/mol. Its IUPAC name is 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
PubChem CID115689549
Molecular FormulaC10H13BrN2S2
Molecular Weight305.27 g/mol
Exact Mass303.97
IUPAC Name5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
SMILESBrc1ccc(NCC2CSCCS2)nc1
InChIInChI=1S/C10H13BrN2S2/c11-8-1-2-10(12-5-8)13-6-9-7-14-3-4-15-9/h1-2,5,9H,3-4,6-7H2,(H,12,13)
InChIKeyMMIDDDOVCSAIHK-UHFFFAOYSA-N
XLogP3.10
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,4-dithian-2-ylmethyl)-5-nitropyridin-2-amine
CID 113253344
N-(1,4-dithian-2-ylmethyl)pyridin-2-amine
CID 115685335
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
6-bromo-N-(1,4-dithian-2-ylmethyl)quinazolin-4-amine
CID 133348873
N-(1,4-dithian-2-ylmethyl)-6-methylpyrimidin-4-amine
CID 115689494
2-[6-(1,4-dithian-2-ylmethylamino)-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137271811
5-bromo-N-(1,4-dithian-2-ylmethyl)-2-hydroxybenzamide
CID 103741677
3-bromo-2-N-(1,4-dithian-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 113489304
N-(1,4-dithian-2-ylmethyl)-3-nitroimidazo[1,2-b]pyridazin-6-amine
CID 133419178
2,5-dibromo-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 113253321
2-N-(1,4-dithian-2-ylmethyl)pyrimidine-2,4-diamine
CID 116797435
2-chloro-N-(1,4-dithian-2-ylmethyl)pyridin-4-amine
CID 103757201

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine (CID 115689549) is 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine is Brc1ccc(NCC2CSCCS2)nc1.
What is the InChIKey of 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
The InChIKey is MMIDDDOVCSAIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2S2/c11-8-1-2-10(12-5-8)13-6-9-7-14-3-4-15-9/h1-2,5,9H,3-4,6-7H2,(H,12,13).
What are the key properties of 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine?
5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine has a molecular weight of 305.27 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1,4-dithian-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 115689549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).